2-amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid

C10H22N4O4S — CID 174670418

IUPAC2-amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid
SMILESNC(CCN(CC1CCNCC1)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C10H22N4O4S/c11-9(10(15)16)3-6-14(19(12,17)18)7-8-1-4-13-5-2-8/h8-9,13H,1-7,11H2,(H,15,16)(H2,12,17,18)
InChIKeyJSYYTUKHDMGQTD-UHFFFAOYSA-N
MW294.38 g/mol
LogP-1.71
Rot. Bonds7

About 2-amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid

2-amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid (PubChem CID 174670418) has the molecular formula C10H22N4O4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid
PubChem CID174670418
Molecular FormulaC10H22N4O4S
Molecular Weight294.38 g/mol
Exact Mass294.14
IUPAC Name2-amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid
SMILESNC(CCN(CC1CCNCC1)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C10H22N4O4S/c11-9(10(15)16)3-6-14(19(12,17)18)7-8-1-4-13-5-2-8/h8-9,13H,1-7,11H2,(H,15,16)(H2,12,17,18)
InChIKeyJSYYTUKHDMGQTD-UHFFFAOYSA-N
XLogP-1.71
TPSA138.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid (CID 174670418) is 2-amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid is NC(CCN(CC1CCNCC1)S(N)(=O)=O)C(=O)O.
What is the InChIKey of 2-amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid?
The InChIKey is JSYYTUKHDMGQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O4S/c11-9(10(15)16)3-6-14(19(12,17)18)7-8-1-4-13-5-2-8/h8-9,13H,1-7,11H2,(H,15,16)(H2,12,17,18).
What are the key properties of 2-amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid?
2-amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid has a molecular weight of 294.38 g/mol, XLogP of -1.71, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid is sourced from PubChem (CID 174670418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).